2 papers
cs.AI2026
From Holo Pockets to Electron Density: GPT-style Drug Design with Density
Jiahao Chen, Letian Gao, Yanhao Zhu +4
Recent advances in generative modeling have enabled significant progress in structure-based drug design (SBDD). Existing methods typically condition molecule generation on empty bi…
cs.LG2023
Generation of 3D Molecules in Pockets via Language Model
Wei Feng, Lvwei Wang, Zaiyun Lin +9
Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug d…